SCHEMBL1463497

SCHEMBL1463497

CC(C)=CCC(O)(CC(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MEN1 O00255 2/20 0.40
LMNA P02545 3/20 0.40
HCAR2 Q8TDS4 1/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MAOB P27338 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12745983 1.00 ALDH1A1 (0.47) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL1463970 0.88 ALDH1A1 (0.44) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL1463973 0.88 ALDH1A1 (0.44) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL1463939 0.83 KMT2A (0.45) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL1463937 0.83 KMT2A (0.45) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL9782112 0.81 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL15803677 0.81 ALDH1A1 (0.42) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL3998923 0.77 ALDH1A1 (0.49) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL12745999 0.75 ALDH1A1 (0.44) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL7944901 0.75 ALDH1A1 (0.56) ALDH1A1KMT2ATDP1SLC6A2SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006231-B2 Cephalotaxus esters, methods of synthesis, and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-04-14 US disclosed
US-20140171416-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2014-06-19 US disclosed
US-8466142-B2 Cephalotaxus esters, methods of synthesis, and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-18 US disclosed
US-8466142-B2 Cephalotaxus esters, methods of synthesis, and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-18 US disclosed
US-20110071097-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-03-24 US disclosed
US-20110071097-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-03-24 US disclosed
EP-2260041-A2 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF Sloan Kettering Institute For Cancer Research (US) 2010-12-15 EP disclosed
WO-2009148654-A2 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2009-12-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110071097-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF COASY, CXCR4, CETP ALDH1A1 1109/4885KMT2A 1633/4885TDP1 2188/4885
US-20140171416-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF COASY, CXCR4, CETP ALDH1A1 1109/4885KMT2A 1633/4885TDP1 2188/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.